⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL48727 | 0.84 | CYP2D6 (0.41) | — | |
| SCHEMBL829170 | 0.79 | NFKB1 (0.44) | — | |
| SCHEMBL296447 | 0.79 | — | — | |
| SCHEMBL829645 | 0.79 | CYP2D6 (0.37) | — | |
| SCHEMBL14610660 | 0.77 | — | — | |
| SCHEMBL6268963 | 0.77 | FFAR1 (0.33) | — | |
| SCHEMBL12985932 | 0.77 | CYP2D6 (0.35) | — | |
| SCHEMBL32686197 | 0.77 | DNM1 (0.47) | — | |
| SCHEMBL5706629 | 0.77 | — | — | |
| SCHEMBL5859130 | 0.75 | NFKB1 (0.47) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10005852-B2 | Polyisobutylenes and process for making same | THE UNIVERSITY OF AKRON (US) | 2018-06-26 | — | — | US | disclosed |
| US-20180066079-A1 | POLYISOBUTYLENES AND PROCESS FOR MAKING SAME | THE UNIVERSITY OF AKRON (US) | 2018-03-08 | — | — | US | disclosed |